C200-6195 Screening compound: methyl 4-[3-(benzenesulfonyl)-1-(3-ethylphenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-2-yl]benzoate

C200-6195 Screening compound: methyl 4-[3-(benzenesulfonyl)-1-(3-ethylphenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-2-yl]benzoate
C200-6195 Screening compound: methyl 4-[3-(benzenesulfonyl)-1-(3-ethylphenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-2-yl]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C200-6195
methyl 4-[3-(benzenesulfonyl)-1-(3-ethylphenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-2-yl]benzoate

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

C200-6195

Molecular Formula

C26H23NO6S (C26 H23 NO6 S)

Compound Name

methyl 4-[3-(benzenesulfonyl)-1-(3-ethylphenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-2-yl]benzoate

IUPAC name

methyl 4-[3-(benzenesulfonyl)-1-(3-ethylphenyl)-4-hydroxy-5-oxo-25-dihydro-1H-pyrrol-2-yl]benzoate

SMILES

CCc1cccc(N(C(C(S(c2ccccc2)(=O)=O)=C2O)c(cc3)ccc3C(OC)=O)C2=O)c1

InChI

InChI=1S/C26H23NO6S/c1-3-17-8-7-9-20(16-17)27-22(18-12-14-19(15-13-18)26(30)33-2)24(23(28)25(27)29)34(31,32)21-10-5-4-6-11-21/h4-16,22,28H,3H2,1-2H3/t22-/m1/s1

InChI Key

IGQLLWKLLZNQFT-JOCHJYFZSA-N

MDL Number (MFCD)

MFCD26961811

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

477.54

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.654

Distribution Coefficient, logD

4.642

Water Solubility, LogSw

-4.45

Polar Surface Area

81.423

Acid Dissociation Constant (pKa)

8.98

Base Dissociation Constant (pKb)

-8.61

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

15.40

C200-6195 in Drug Discovery

Included in Screening Libraries

Cysteine Proteases Inhibitors Library (7839 compounds)

Targeted Diversity Library (40567 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Nervous system
  • Cardiovascular
  • Skin
  • Metabolic
  • Endocrine
  • Immune system
  • Cancer
Targets:
  • Proteases
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with C200-6195 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C200-6195?
Check Price and Availability of C200-6195, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C200-6195 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C200-6195
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C200-6195
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of C200-6195 available by request